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Gatti, Fabien

Applications of Quantum Dynamics in Chemistry

Gatti, Fabien - Applications of Quantum Dynamics in Chemistry, ebook

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ISBN: 9783319539232
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Table of contents

1. Introduction
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

Part I. Concepts and Methods

2. Quantum Mechanical Background
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

3. Molecular Hamiltonian Operators
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

4. Vibronic Couplings
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

5. Choosing the Set of Coordinates for the Nuclei
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

6. The Kinetic Energy Operator in Curvilinear Coordinates
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

7. Group Theory and Molecular Symmetry
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

8. Introduction to Numerical Methods
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

Part II. Applications

9. Infrared Spectroscopy
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

10. Photodissociation Spectroscopy
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

11. Bimolecular Reactions
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

12. Vibronic Coupling
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

13. Control of Molecular Processes
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

14. Erratum to: Applications of Quantum Dynamics in Chemistry
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

Keywords: Chemistry, Theoretical and Computational Chemistry, Quantum Physics, Computer Applications in Chemistry, Math. Applications in Chemistry

Author(s)
 
 
 
Publisher
Springer
Publication year
2017
Language
en
Edition
1
Series
Lecture Notes in Chemistry
Category
Natural Sciences
Format
Ebook
eISBN (PDF)
9783319539232
Printed ISBN
978-3-319-53921-8

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